REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2q78_1_E DATA FIRST_RESID 0 DATA SEQUENCE HXXDFDFLEG KRLTEDVALD ETXVWNEDIE XLDLHLVATS ALIGVVHRVS DATA SEQUENCE YELLSRYLPN DYTAVVVETL ARHVKAVPTG TRVAVGVRVV GVVGNRVKFR DATA SEQUENCE GIVXSGDEKI LEAEFVRAIV PREKLRRLAL E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.399 175.328 0.118 0.000 0.993 0 H CA 0.000 56.103 56.048 0.091 0.000 1.023 0 H CB 0.000 29.815 29.762 0.089 0.000 1.292 4 F N 1.415 121.310 119.950 -0.092 0.000 2.668 4 F HA 0.264 4.791 4.527 0.000 0.000 0.301 4 F C 1.586 177.031 175.800 -0.592 0.000 1.106 4 F CA -0.490 57.253 58.000 -0.427 0.000 1.289 4 F CB 0.462 39.230 39.000 -0.387 0.000 1.006 4 F HN 0.273 nan 8.300 nan 0.000 0.535 5 D N 0.632 120.937 120.400 -0.158 0.000 2.218 5 D HA -0.199 4.441 4.640 -0.000 0.000 0.204 5 D C 2.156 178.354 176.300 -0.170 0.000 0.976 5 D CA 1.269 55.187 54.000 -0.138 0.000 0.853 5 D CB -0.394 40.376 40.800 -0.050 0.000 0.939 5 D HN 0.425 nan 8.370 nan 0.000 0.481 6 F N 0.069 119.969 119.950 -0.084 0.000 2.307 6 F HA -0.035 4.492 4.527 0.000 0.000 0.301 6 F C 1.797 177.485 175.800 -0.185 0.000 1.076 6 F CA 0.484 58.411 58.000 -0.122 0.000 1.383 6 F CB -1.005 37.923 39.000 -0.120 0.000 1.055 6 F HN -0.114 nan 8.300 nan 0.000 0.526 7 L N 0.457 121.194 121.223 -0.809 0.000 2.450 7 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 7 L C 0.790 177.448 176.870 -0.354 0.000 1.149 7 L CA 0.691 55.177 54.840 -0.589 0.000 0.816 7 L CB -0.819 40.882 42.059 -0.596 0.000 0.932 7 L HN 0.228 nan 8.230 nan 0.000 0.449 8 E N -0.129 119.911 120.200 -0.267 0.000 2.344 8 E HA 0.209 4.559 4.350 -0.000 0.000 0.270 8 E C 1.061 177.573 176.600 -0.147 0.000 1.021 8 E CA 0.541 56.819 56.400 -0.204 0.000 0.887 8 E CB 0.736 30.344 29.700 -0.154 0.000 0.997 8 E HN 0.269 nan 8.360 nan 0.000 0.429 9 G N 3.386 112.104 108.800 -0.137 0.000 2.225 9 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.254 9 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.254 9 G C 0.117 174.982 174.900 -0.058 0.000 0.988 9 G CA -0.222 44.828 45.100 -0.084 0.000 0.625 9 G HN 0.399 nan 8.290 nan 0.000 0.527 10 K N 1.305 121.657 120.400 -0.079 0.000 2.448 10 K HA 0.344 4.664 4.320 -0.000 0.000 0.278 10 K C 0.759 177.386 176.600 0.045 0.000 1.009 10 K CA 0.448 56.723 56.287 -0.020 0.000 0.995 10 K CB 0.532 32.993 32.500 -0.064 0.000 0.917 10 K HN 0.654 nan 8.250 nan 0.000 0.481 11 R N 1.623 122.173 120.500 0.083 0.000 2.744 11 R HA 0.621 4.961 4.340 -0.000 0.000 0.279 11 R C -0.980 175.391 176.300 0.119 0.000 0.977 11 R CA -1.176 54.984 56.100 0.100 0.000 0.906 11 R CB 1.292 31.633 30.300 0.068 0.000 1.197 11 R HN 0.280 nan 8.270 nan 0.000 0.463 12 L N 0.322 121.618 121.223 0.121 0.000 2.464 12 L HA 0.514 4.854 4.340 -0.000 0.000 0.266 12 L C -1.308 175.612 176.870 0.084 0.000 0.965 12 L CA 0.049 54.950 54.840 0.102 0.000 0.833 12 L CB 2.764 44.889 42.059 0.110 0.000 1.296 12 L HN 0.660 nan 8.230 nan 0.000 0.405 13 T N 2.220 116.812 114.554 0.064 0.000 2.829 13 T HA 0.639 4.989 4.350 -0.000 0.000 0.280 13 T C -1.361 173.365 174.700 0.043 0.000 0.999 13 T CA -0.466 61.665 62.100 0.052 0.000 0.983 13 T CB 1.648 70.543 68.868 0.044 0.000 0.968 13 T HN 0.546 nan 8.240 nan 0.000 0.446 14 E N 2.316 122.538 120.200 0.037 0.000 2.290 14 E HA 0.310 4.660 4.350 -0.000 0.000 0.274 14 E C -1.818 174.795 176.600 0.022 0.000 0.889 14 E CA -0.922 55.496 56.400 0.029 0.000 0.760 14 E CB 1.441 31.158 29.700 0.029 0.000 1.206 14 E HN 0.670 nan 8.360 nan 0.000 0.419 15 D N 2.103 122.514 120.400 0.019 0.000 2.339 15 D HA 0.342 4.982 4.640 -0.000 0.000 0.241 15 D C -0.329 175.978 176.300 0.012 0.000 1.183 15 D CA 0.059 54.068 54.000 0.015 0.000 0.859 15 D CB 1.399 42.208 40.800 0.015 0.000 1.067 15 D HN 0.260 nan 8.370 nan 0.000 0.484 16 V N 1.743 121.662 119.914 0.008 0.000 2.513 16 V HA 0.596 4.716 4.120 -0.000 0.000 0.299 16 V C 0.396 176.493 176.094 0.006 0.000 1.035 16 V CA -1.153 61.149 62.300 0.005 0.000 0.889 16 V CB 1.751 33.572 31.823 -0.003 0.000 0.988 16 V HN 0.630 nan 8.190 nan 0.000 0.440 17 A N 5.669 128.493 122.820 0.007 0.000 2.409 17 A HA 0.612 4.932 4.320 -0.000 0.000 0.267 17 A C -0.262 177.329 177.584 0.011 0.000 1.127 17 A CA -0.254 51.789 52.037 0.010 0.000 0.795 17 A CB -0.082 18.923 19.000 0.009 0.000 1.061 17 A HN 0.819 nan 8.150 nan 0.000 0.502 18 L N 3.816 125.051 121.223 0.020 0.000 2.268 18 L HA 0.287 4.627 4.340 -0.000 0.000 0.289 18 L C -0.310 176.582 176.870 0.037 0.000 1.064 18 L CA -0.655 54.202 54.840 0.028 0.000 0.824 18 L CB 0.269 42.352 42.059 0.039 0.000 1.202 18 L HN 0.889 nan 8.230 nan 0.000 0.433 19 D N 1.221 121.636 120.400 0.026 0.000 2.494 19 D HA 0.334 4.974 4.640 -0.000 0.000 0.259 19 D C 1.036 177.350 176.300 0.024 0.000 1.109 19 D CA -0.150 53.862 54.000 0.019 0.000 1.040 19 D CB 0.701 41.504 40.800 0.006 0.000 1.175 19 D HN 0.282 nan 8.370 nan 0.000 0.584 20 E N -0.675 119.529 120.200 0.007 0.000 2.204 20 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 20 E C 1.284 177.893 176.600 0.014 0.000 0.990 20 E CA 1.521 57.924 56.400 0.006 0.000 0.821 20 E CB -1.365 28.325 29.700 -0.017 0.000 0.750 20 E HN 0.722 nan 8.360 nan 0.000 0.477 24 W N 7.768 129.089 121.300 0.035 0.000 2.485 24 W HA 0.491 5.151 4.660 -0.000 0.000 0.315 24 W C 0.624 177.155 176.519 0.019 0.000 1.304 24 W CA -0.007 57.352 57.345 0.023 0.000 1.345 24 W CB 0.712 30.182 29.460 0.017 0.000 1.368 24 W HN 0.826 nan 8.180 nan 0.000 0.497 25 N N 3.300 121.839 118.700 -0.268 0.000 2.241 25 N HA -0.025 4.715 4.740 -0.000 0.000 0.238 25 N C 0.549 175.820 175.510 -0.398 0.000 1.244 25 N CA -0.104 52.734 53.050 -0.352 0.000 0.880 25 N CB -0.361 38.042 38.487 -0.140 0.000 1.179 25 N HN 0.628 nan 8.380 nan 0.000 0.513 26 E N 0.100 119.986 120.200 -0.523 0.000 2.153 26 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 26 E C -0.457 175.964 176.600 -0.297 0.000 0.988 26 E CA 0.950 57.204 56.400 -0.244 0.000 0.811 26 E CB 0.100 29.838 29.700 0.063 0.000 0.746 26 E HN 0.330 nan 8.360 nan 0.000 0.466 27 D N -0.533 119.526 120.400 -0.569 0.000 2.453 27 D HA 0.094 4.734 4.640 -0.000 0.000 0.238 27 D C 0.600 176.687 176.300 -0.355 0.000 1.088 27 D CA -0.380 53.380 54.000 -0.400 0.000 0.854 27 D CB 0.923 41.463 40.800 -0.433 0.000 1.076 27 D HN -0.185 nan 8.370 nan 0.000 0.533 28 I N 2.422 122.868 120.570 -0.207 0.000 2.087 28 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 28 I C 1.613 177.647 176.117 -0.137 0.000 1.054 28 I CA 1.333 62.542 61.300 -0.151 0.000 1.311 28 I CB -0.539 37.405 38.000 -0.093 0.000 1.024 28 I HN 0.494 nan 8.210 nan 0.000 0.402 32 D N 1.016 121.432 120.400 0.027 0.000 2.347 32 D HA -0.072 4.568 4.640 -0.000 0.000 0.215 32 D C 1.781 178.164 176.300 0.138 0.000 0.976 32 D CA 0.534 54.591 54.000 0.095 0.000 0.884 32 D CB 0.009 40.841 40.800 0.054 0.000 0.915 32 D HN 0.376 nan 8.370 nan 0.000 0.526 33 L N 0.340 121.593 121.223 0.050 0.000 2.376 33 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 33 L C 0.343 177.030 176.870 -0.305 0.000 1.133 33 L CA 0.613 55.413 54.840 -0.068 0.000 0.816 33 L CB -1.305 40.762 42.059 0.012 0.000 0.933 33 L HN 0.236 nan 8.230 nan 0.000 0.449 34 H N -1.873 117.238 119.070 0.068 0.000 2.355 34 H HA -0.196 4.360 4.556 -0.000 0.000 0.324 34 H C -0.199 175.201 175.328 0.120 0.000 1.015 34 H CA -0.193 55.901 56.048 0.076 0.000 1.101 34 H CB -2.491 27.297 29.762 0.043 0.000 1.555 34 H HN 0.245 nan 8.280 nan 0.000 0.386 35 L N 0.392 121.695 121.223 0.133 0.000 2.456 35 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 35 L C 1.085 178.081 176.870 0.209 0.000 1.189 35 L CA -0.237 54.689 54.840 0.144 0.000 0.846 35 L CB 0.667 42.836 42.059 0.184 0.000 1.111 35 L HN 0.396 nan 8.230 nan 0.000 0.475 36 V N 3.773 123.776 119.914 0.149 0.000 2.572 36 V HA 0.350 4.469 4.120 -0.000 0.000 0.291 36 V C 0.695 176.893 176.094 0.173 0.000 1.039 36 V CA -0.482 61.906 62.300 0.146 0.000 1.055 36 V CB 1.233 33.113 31.823 0.095 0.000 0.969 36 V HN 0.872 nan 8.190 nan 0.000 0.482 37 A N 5.076 127.994 122.820 0.164 0.000 2.351 37 A HA 0.420 4.740 4.320 -0.000 0.000 0.257 37 A C 1.297 178.926 177.584 0.075 0.000 1.087 37 A CA 0.441 52.568 52.037 0.149 0.000 0.798 37 A CB 0.441 19.548 19.000 0.178 0.000 1.033 37 A HN 1.001 nan 8.150 nan 0.000 0.488 38 T N 1.380 115.980 114.554 0.076 0.000 2.674 38 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 38 T C 2.331 176.983 174.700 -0.081 0.000 1.039 38 T CA 2.286 64.394 62.100 0.014 0.000 1.150 38 T CB -0.466 68.458 68.868 0.094 0.000 0.864 38 T HN 1.019 nan 8.240 nan 0.000 0.427 39 S N 2.328 118.005 115.700 -0.038 0.000 2.370 39 S HA -0.095 4.375 4.470 -0.000 0.000 0.226 39 S C 2.426 176.968 174.600 -0.096 0.000 1.033 39 S CA 1.108 59.268 58.200 -0.066 0.000 1.011 39 S CB -0.786 62.403 63.200 -0.019 0.000 0.852 39 S HN 0.528 nan 8.310 nan 0.000 0.457 40 A N 2.019 124.805 122.820 -0.056 0.000 1.902 40 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 40 A C 2.363 179.879 177.584 -0.114 0.000 1.181 40 A CA 1.420 53.420 52.037 -0.061 0.000 0.623 40 A CB -0.852 18.143 19.000 -0.009 0.000 0.818 40 A HN 0.534 nan 8.150 nan 0.000 0.443 41 L N -0.604 120.532 121.223 -0.145 0.000 2.056 41 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 41 L C 2.500 179.214 176.870 -0.260 0.000 1.078 41 L CA 1.145 55.868 54.840 -0.195 0.000 0.749 41 L CB -0.509 41.389 42.059 -0.269 0.000 0.901 41 L HN 0.390 nan 8.230 nan 0.000 0.433 42 I N -0.086 120.298 120.570 -0.310 0.000 2.151 42 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 42 I C 2.601 178.316 176.117 -0.670 0.000 1.080 42 I CA 1.640 62.638 61.300 -0.503 0.000 1.339 42 I CB -0.864 36.873 38.000 -0.438 0.000 1.039 42 I HN 0.305 nan 8.210 nan 0.000 0.409 43 G N 0.225 108.786 108.800 -0.398 0.000 2.422 43 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 43 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 43 G C 1.706 176.480 174.900 -0.209 0.000 1.146 43 G CA 0.854 45.791 45.100 -0.270 0.000 0.769 43 G HN 0.252 nan 8.290 nan 0.000 0.547 44 V N 0.391 120.191 119.914 -0.189 0.000 2.261 44 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 44 V C 3.018 179.033 176.094 -0.132 0.000 1.047 44 V CA 1.507 63.732 62.300 -0.125 0.000 1.015 44 V CB -0.424 31.341 31.823 -0.097 0.000 0.642 44 V HN 0.245 nan 8.190 nan 0.000 0.446 45 V N -0.272 119.520 119.914 -0.203 0.000 2.332 45 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 45 V C 2.246 178.224 176.094 -0.193 0.000 1.055 45 V CA 2.380 64.578 62.300 -0.169 0.000 1.038 45 V CB -0.949 30.761 31.823 -0.188 0.000 0.651 45 V HN 0.679 nan 8.190 nan 0.000 0.450 46 H N -0.613 118.189 119.070 -0.447 0.000 2.319 46 H HA -0.193 4.363 4.556 0.000 0.000 0.299 46 H C 2.692 177.902 175.328 -0.197 0.000 1.092 46 H CA 1.636 57.409 56.048 -0.459 0.000 1.302 46 H CB -0.005 29.518 29.762 -0.398 0.000 1.373 46 H HN 0.259 nan 8.280 nan 0.000 0.497 47 R N 0.421 120.922 120.500 0.001 0.000 2.094 47 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 47 R C 2.430 178.767 176.300 0.062 0.000 1.137 47 R CA 1.629 57.745 56.100 0.027 0.000 0.943 47 R CB -0.398 29.901 30.300 -0.001 0.000 0.850 47 R HN 0.134 nan 8.270 nan 0.000 0.433 48 V N 0.949 120.879 119.914 0.027 0.000 2.332 48 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 48 V C 2.439 178.554 176.094 0.034 0.000 1.055 48 V CA 2.190 64.515 62.300 0.042 0.000 1.038 48 V CB -0.556 31.293 31.823 0.043 0.000 0.651 48 V HN 0.554 nan 8.190 nan 0.000 0.450 49 S N -0.745 114.939 115.700 -0.027 0.000 2.399 49 S HA -0.283 4.187 4.470 -0.000 0.000 0.231 49 S C 1.986 176.528 174.600 -0.096 0.000 1.022 49 S CA 1.767 59.830 58.200 -0.228 0.000 0.983 49 S CB -0.761 62.043 63.200 -0.660 0.000 0.803 49 S HN 0.666 nan 8.310 nan 0.000 0.480 50 Y N 2.387 122.633 120.300 -0.089 0.000 2.263 50 Y HA 0.000 4.550 4.550 -0.000 0.000 0.292 50 Y C 2.515 178.423 175.900 0.014 0.000 1.130 50 Y CA 1.773 59.857 58.100 -0.026 0.000 1.179 50 Y CB -0.424 38.019 38.460 -0.028 0.000 0.998 50 Y HN 0.366 nan 8.280 nan 0.000 0.532 51 E N 0.735 121.000 120.200 0.107 0.000 2.085 51 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 51 E C 2.190 178.774 176.600 -0.028 0.000 0.994 51 E CA 1.802 58.227 56.400 0.041 0.000 0.801 51 E CB -0.732 29.013 29.700 0.074 0.000 0.743 51 E HN 0.632 nan 8.360 nan 0.000 0.453 52 L N -0.250 120.991 121.223 0.030 0.000 2.017 52 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 52 L C 2.344 179.293 176.870 0.132 0.000 1.073 52 L CA 1.376 56.285 54.840 0.115 0.000 0.745 52 L CB -0.183 42.000 42.059 0.207 0.000 0.894 52 L HN 0.264 nan 8.230 nan 0.000 0.432 53 L N -0.483 120.765 121.223 0.041 0.000 2.093 53 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 53 L C 2.911 179.717 176.870 -0.106 0.000 1.085 53 L CA 1.278 56.137 54.840 0.031 0.000 0.755 53 L CB -0.634 41.400 42.059 -0.041 0.000 0.904 53 L HN 0.495 nan 8.230 nan 0.000 0.435 54 S N 0.294 115.783 115.700 -0.352 0.000 2.387 54 S HA -0.282 4.188 4.470 -0.000 0.000 0.230 54 S C 2.026 176.528 174.600 -0.162 0.000 1.035 54 S CA 1.314 59.325 58.200 -0.314 0.000 1.014 54 S CB -0.469 62.542 63.200 -0.315 0.000 0.836 54 S HN 0.395 nan 8.310 nan 0.000 0.466 55 R N -0.523 119.847 120.500 -0.216 0.000 2.152 55 R HA -0.009 4.331 4.340 -0.000 0.000 0.232 55 R C 1.331 177.349 176.300 -0.471 0.000 1.117 55 R CA 1.772 57.633 56.100 -0.399 0.000 0.981 55 R CB -0.307 29.621 30.300 -0.620 0.000 0.870 55 R HN 0.623 nan 8.270 nan 0.000 0.451 56 Y N -0.751 119.594 120.300 0.076 0.000 2.430 56 Y HA 0.263 4.813 4.550 -0.000 0.000 0.254 56 Y C 0.680 176.700 175.900 0.199 0.000 1.088 56 Y CA -0.479 57.724 58.100 0.172 0.000 1.267 56 Y CB 0.450 39.107 38.460 0.328 0.000 1.204 56 Y HN -0.151 nan 8.280 nan 0.000 0.515 57 L N 2.194 123.561 121.223 0.240 0.000 2.464 57 L HA 0.217 4.557 4.340 -0.000 0.000 0.264 57 L C -1.894 175.085 176.870 0.182 0.000 1.199 57 L CA -1.890 53.072 54.840 0.203 0.000 0.818 57 L CB 0.142 42.275 42.059 0.124 0.000 1.102 57 L HN -0.087 nan 8.230 nan 0.000 0.473 58 P HA 0.088 nan 4.420 nan 0.000 0.271 58 P C -0.096 177.344 177.300 0.233 0.000 1.244 58 P CA -0.378 62.852 63.100 0.218 0.000 0.793 58 P CB 0.430 32.311 31.700 0.302 0.000 0.984 59 N N 0.775 119.578 118.700 0.172 0.000 2.459 59 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 59 N C 0.744 176.334 175.510 0.134 0.000 1.046 59 N CA 0.962 54.090 53.050 0.130 0.000 0.904 59 N CB -0.281 38.258 38.487 0.087 0.000 0.964 59 N HN 0.568 nan 8.380 nan 0.000 0.444 60 D N -0.981 119.520 120.400 0.169 0.000 2.348 60 D HA -0.088 4.552 4.640 -0.000 0.000 0.211 60 D C 0.117 176.411 176.300 -0.011 0.000 0.998 60 D CA 0.184 54.224 54.000 0.066 0.000 0.873 60 D CB -0.287 40.527 40.800 0.023 0.000 0.925 60 D HN 0.156 nan 8.370 nan 0.000 0.524 61 Y N 0.203 120.554 120.300 0.086 0.000 2.419 61 Y HA 0.470 5.020 4.550 -0.000 0.000 0.328 61 Y C 0.910 176.858 175.900 0.080 0.000 1.162 61 Y CA -0.409 57.741 58.100 0.083 0.000 1.174 61 Y CB 2.071 40.591 38.460 0.101 0.000 1.228 61 Y HN -0.265 nan 8.280 nan 0.000 0.473 62 T N 0.791 115.475 114.554 0.218 0.000 2.804 62 T HA 0.875 5.225 4.350 -0.000 0.000 0.290 62 T C -1.748 173.069 174.700 0.195 0.000 1.099 62 T CA -0.645 61.591 62.100 0.226 0.000 1.011 62 T CB 1.072 70.060 68.868 0.199 0.000 1.291 62 T HN 0.733 nan 8.240 nan 0.000 0.523 63 A N 1.584 124.551 122.820 0.246 0.000 2.381 63 A HA 0.729 5.049 4.320 -0.000 0.000 0.299 63 A C -0.532 177.144 177.584 0.154 0.000 1.049 63 A CA -0.577 51.558 52.037 0.164 0.000 0.715 63 A CB 0.940 20.020 19.000 0.134 0.000 1.222 63 A HN 1.253 nan 8.150 nan 0.000 0.428 64 V N 0.466 120.426 119.914 0.076 0.000 2.881 64 V HA 0.842 4.962 4.120 -0.000 0.000 0.316 64 V C -0.100 175.998 176.094 0.006 0.000 1.070 64 V CA -0.886 61.431 62.300 0.027 0.000 0.976 64 V CB 1.527 33.358 31.823 0.013 0.000 1.038 64 V HN 0.610 nan 8.190 nan 0.000 0.446 65 V N 3.503 123.383 119.914 -0.057 0.000 2.461 65 V HA 0.263 4.383 4.120 -0.000 0.000 0.275 65 V C 1.114 177.191 176.094 -0.028 0.000 1.047 65 V CA 0.556 62.803 62.300 -0.089 0.000 0.955 65 V CB 1.252 32.871 31.823 -0.340 0.000 0.988 65 V HN 1.043 nan 8.190 nan 0.000 0.471 66 V N 1.445 121.368 119.914 0.015 0.000 3.621 66 V HA 0.474 4.594 4.120 -0.000 0.000 0.263 66 V C 0.429 176.548 176.094 0.043 0.000 1.272 66 V CA 0.457 62.772 62.300 0.026 0.000 1.080 66 V CB 0.170 32.011 31.823 0.029 0.000 0.816 66 V HN 0.834 nan 8.190 nan 0.000 0.451 67 E N -0.512 119.729 120.200 0.069 0.000 2.347 67 E HA 0.554 4.904 4.350 -0.000 0.000 0.285 67 E C -1.485 175.216 176.600 0.167 0.000 0.925 67 E CA -0.201 56.256 56.400 0.096 0.000 0.779 67 E CB 2.391 32.141 29.700 0.083 0.000 1.233 67 E HN 0.255 nan 8.360 nan 0.000 0.414 68 T N 3.257 117.914 114.554 0.172 0.000 2.956 68 T HA 0.558 4.908 4.350 -0.000 0.000 0.312 68 T C -2.151 172.652 174.700 0.171 0.000 1.151 68 T CA -0.592 61.661 62.100 0.255 0.000 1.024 68 T CB 1.174 70.222 68.868 0.299 0.000 1.140 68 T HN 0.320 nan 8.240 nan 0.000 0.473 69 L N 4.006 125.341 121.223 0.187 0.000 2.410 69 L HA 0.980 5.320 4.340 -0.000 0.000 0.270 69 L C -1.177 175.757 176.870 0.108 0.000 0.983 69 L CA -0.410 54.500 54.840 0.117 0.000 0.822 69 L CB 1.344 43.463 42.059 0.100 0.000 1.285 69 L HN 0.840 nan 8.230 nan 0.000 0.409 70 A N 4.832 127.686 122.820 0.057 0.000 2.475 70 A HA 0.896 5.216 4.320 -0.000 0.000 0.301 70 A C -1.014 176.587 177.584 0.027 0.000 1.059 70 A CA -0.745 51.310 52.037 0.030 0.000 0.710 70 A CB 1.505 20.490 19.000 -0.026 0.000 1.288 70 A HN 0.693 nan 8.150 nan 0.000 0.408 71 R N 0.971 121.488 120.500 0.028 0.000 2.360 71 R HA 0.329 4.669 4.340 -0.000 0.000 0.318 71 R C -1.071 175.269 176.300 0.066 0.000 0.950 71 R CA -0.376 55.748 56.100 0.040 0.000 0.837 71 R CB 1.449 31.770 30.300 0.034 0.000 1.165 71 R HN 0.883 nan 8.270 nan 0.000 0.458 72 H N 3.237 122.280 119.070 -0.044 0.000 2.724 72 H HA 0.121 4.677 4.556 0.000 0.000 0.278 72 H C 1.124 176.415 175.328 -0.062 0.000 1.159 72 H CA -0.594 55.417 56.048 -0.061 0.000 1.254 72 H CB 0.876 30.584 29.762 -0.090 0.000 1.412 72 H HN 0.484 nan 8.280 nan 0.000 0.488 73 V N 1.581 121.590 119.914 0.159 0.000 3.471 73 V HA 0.328 4.448 4.120 -0.000 0.000 0.258 73 V C 0.369 176.467 176.094 0.006 0.000 1.192 73 V CA 0.362 62.688 62.300 0.043 0.000 1.116 73 V CB 0.089 31.932 31.823 0.033 0.000 0.792 73 V HN 0.321 nan 8.190 nan 0.000 0.459 74 K N 0.917 121.345 120.400 0.047 0.000 2.501 74 K HA 0.794 5.114 4.320 -0.000 0.000 0.252 74 K C -0.570 176.010 176.600 -0.033 0.000 0.934 74 K CA 0.268 56.549 56.287 -0.010 0.000 0.797 74 K CB 2.170 34.681 32.500 0.018 0.000 1.270 74 K HN 0.375 nan 8.250 nan 0.000 0.431 75 A N 2.083 124.835 122.820 -0.113 0.000 2.363 75 A HA 0.574 4.894 4.320 -0.000 0.000 0.270 75 A C -0.833 176.737 177.584 -0.022 0.000 1.121 75 A CA -0.414 51.551 52.037 -0.120 0.000 0.800 75 A CB 0.781 19.680 19.000 -0.168 0.000 1.052 75 A HN 0.477 nan 8.150 nan 0.000 0.493 76 V N 4.469 124.396 119.914 0.022 0.000 2.760 76 V HA 0.647 4.767 4.120 -0.000 0.000 0.309 76 V C -2.569 173.534 176.094 0.014 0.000 1.077 76 V CA -2.119 60.193 62.300 0.020 0.000 0.910 76 V CB 2.619 34.468 31.823 0.042 0.000 1.008 76 V HN 0.862 nan 8.190 nan 0.000 0.424 77 P HA 0.225 nan 4.420 nan 0.000 0.275 77 P C -0.135 177.225 177.300 0.098 0.000 1.228 77 P CA 0.159 63.224 63.100 -0.058 0.000 0.786 77 P CB 0.640 32.199 31.700 -0.235 0.000 0.927 78 T N -2.425 112.267 114.554 0.230 0.000 2.766 78 T HA 0.391 4.741 4.350 -0.000 0.000 0.295 78 T C 1.185 176.023 174.700 0.230 0.000 1.024 78 T CA 0.405 62.634 62.100 0.216 0.000 1.018 78 T CB -0.329 68.662 68.868 0.204 0.000 1.002 78 T HN 0.819 nan 8.240 nan 0.000 0.532 79 G N -0.225 108.642 108.800 0.111 0.000 2.136 79 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.242 79 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.242 79 G C 0.144 175.087 174.900 0.071 0.000 0.989 79 G CA 0.303 45.445 45.100 0.071 0.000 0.682 79 G HN 1.110 nan 8.290 nan 0.000 0.522 80 T N -1.205 113.390 114.554 0.069 0.000 2.888 80 T HA 0.729 5.079 4.350 -0.000 0.000 0.288 80 T C -0.043 174.679 174.700 0.035 0.000 1.063 80 T CA -0.579 61.550 62.100 0.048 0.000 1.010 80 T CB 1.468 70.365 68.868 0.048 0.000 1.214 80 T HN 0.413 nan 8.240 nan 0.000 0.533 81 R N 0.587 121.103 120.500 0.027 0.000 2.778 81 R HA 0.771 5.111 4.340 -0.000 0.000 0.277 81 R C -1.271 175.040 176.300 0.017 0.000 0.977 81 R CA -0.699 55.413 56.100 0.020 0.000 0.950 81 R CB 1.534 31.844 30.300 0.017 0.000 1.165 81 R HN 0.527 nan 8.270 nan 0.000 0.474 82 V N -0.490 119.432 119.914 0.012 0.000 2.925 82 V HA 0.792 4.912 4.120 -0.000 0.000 0.311 82 V C -0.676 175.424 176.094 0.010 0.000 1.104 82 V CA -1.184 61.121 62.300 0.009 0.000 0.954 82 V CB 1.822 33.647 31.823 0.002 0.000 1.022 82 V HN 0.874 nan 8.190 nan 0.000 0.427 83 A N 3.087 125.914 122.820 0.012 0.000 2.302 83 A HA 0.710 5.030 4.320 -0.000 0.000 0.295 83 A C -0.233 177.361 177.584 0.016 0.000 1.235 83 A CA -0.376 51.670 52.037 0.016 0.000 0.876 83 A CB 0.237 19.248 19.000 0.018 0.000 1.133 83 A HN 1.336 nan 8.150 nan 0.000 0.533 84 V N 3.233 123.158 119.914 0.018 0.000 2.328 84 V HA 0.623 4.743 4.120 -0.000 0.000 0.278 84 V C 0.792 176.911 176.094 0.042 0.000 1.021 84 V CA -0.053 62.260 62.300 0.022 0.000 0.838 84 V CB 1.302 33.130 31.823 0.008 0.000 0.999 84 V HN 1.036 nan 8.190 nan 0.000 0.447 85 G N 3.453 112.286 108.800 0.055 0.000 2.415 85 G HA2 0.726 4.686 3.960 -0.000 0.000 0.327 85 G HA3 0.726 4.686 3.960 -0.000 0.000 0.327 85 G C -0.817 174.148 174.900 0.108 0.000 1.182 85 G CA -0.556 44.587 45.100 0.073 0.000 0.924 85 G HN 0.971 nan 8.290 nan 0.000 0.470 86 V N 0.023 120.016 119.914 0.131 0.000 2.962 86 V HA 0.995 5.115 4.120 -0.000 0.000 0.313 86 V C -0.635 175.572 176.094 0.188 0.000 1.099 86 V CA -1.332 61.082 62.300 0.189 0.000 0.971 86 V CB 1.871 33.831 31.823 0.227 0.000 1.028 86 V HN 1.202 nan 8.190 nan 0.000 0.430 87 R N 1.631 122.247 120.500 0.195 0.000 2.707 87 R HA 0.805 5.145 4.340 -0.000 0.000 0.272 87 R C -1.968 174.337 176.300 0.008 0.000 1.011 87 R CA -0.882 55.289 56.100 0.119 0.000 0.893 87 R CB 2.075 32.400 30.300 0.041 0.000 1.233 87 R HN 0.549 nan 8.270 nan 0.000 0.464 88 V N 3.101 122.921 119.914 -0.156 0.000 2.427 88 V HA 0.080 4.200 4.120 -0.000 0.000 0.268 88 V C 1.213 177.128 176.094 -0.299 0.000 1.046 88 V CA -0.167 61.857 62.300 -0.459 0.000 0.970 88 V CB 1.166 32.693 31.823 -0.493 0.000 1.001 88 V HN 0.727 nan 8.190 nan 0.000 0.476 89 V N 1.903 121.634 119.914 -0.305 0.000 3.660 89 V HA 0.713 4.833 4.120 -0.000 0.000 0.276 89 V C 0.719 176.698 176.094 -0.192 0.000 1.317 89 V CA 0.671 62.853 62.300 -0.196 0.000 1.097 89 V CB 0.015 31.751 31.823 -0.145 0.000 0.863 89 V HN 0.915 nan 8.190 nan 0.000 0.438 90 G N -0.799 107.851 108.800 -0.251 0.000 2.596 90 G HA2 0.548 4.508 3.960 -0.000 0.000 0.296 90 G HA3 0.548 4.508 3.960 -0.000 0.000 0.296 90 G C -1.882 172.881 174.900 -0.228 0.000 1.513 90 G CA -0.242 44.739 45.100 -0.197 0.000 0.851 90 G HN 0.315 nan 8.290 nan 0.000 0.548 91 V N 0.542 120.352 119.914 -0.172 0.000 2.686 91 V HA 0.718 4.838 4.120 -0.000 0.000 0.306 91 V C -0.606 175.437 176.094 -0.086 0.000 1.065 91 V CA -0.699 61.511 62.300 -0.151 0.000 0.894 91 V CB 1.970 33.695 31.823 -0.162 0.000 1.004 91 V HN 0.787 nan 8.190 nan 0.000 0.424 92 V N 4.291 124.170 119.914 -0.059 0.000 2.462 92 V HA 0.783 4.903 4.120 -0.000 0.000 0.288 92 V C 0.784 176.882 176.094 0.005 0.000 1.020 92 V CA 0.484 62.768 62.300 -0.027 0.000 0.857 92 V CB 0.775 32.581 31.823 -0.029 0.000 1.013 92 V HN 1.318 nan 8.190 nan 0.000 0.431 93 G N 5.418 114.239 108.800 0.034 0.000 2.596 93 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.304 93 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.304 93 G C 0.675 175.672 174.900 0.162 0.000 1.189 93 G CA 0.784 45.934 45.100 0.083 0.000 0.986 93 G HN 1.177 nan 8.290 nan 0.000 0.548 94 N N 1.177 119.952 118.700 0.124 0.000 2.270 94 N HA 0.107 4.847 4.740 -0.000 0.000 0.198 94 N C 0.429 175.902 175.510 -0.061 0.000 1.117 94 N CA 0.208 53.282 53.050 0.041 0.000 0.845 94 N CB 0.161 38.690 38.487 0.070 0.000 0.980 94 N HN 0.480 nan 8.380 nan 0.000 0.486 95 R N 0.754 121.235 120.500 -0.031 0.000 2.221 95 R HA 0.377 4.717 4.340 -0.000 0.000 0.327 95 R C -0.800 175.439 176.300 -0.101 0.000 1.033 95 R CA -0.627 55.444 56.100 -0.048 0.000 0.887 95 R CB 1.456 31.742 30.300 -0.025 0.000 1.057 95 R HN -0.072 nan 8.270 nan 0.000 0.455 96 V N 3.786 123.626 119.914 -0.123 0.000 2.407 96 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 96 V C 0.302 176.206 176.094 -0.317 0.000 1.018 96 V CA -0.872 61.271 62.300 -0.263 0.000 0.842 96 V CB 1.836 33.482 31.823 -0.296 0.000 0.996 96 V HN 0.524 nan 8.190 nan 0.000 0.426 97 K N 4.236 124.397 120.400 -0.398 0.000 2.227 97 K HA 0.603 4.923 4.320 -0.000 0.000 0.280 97 K C -1.495 174.737 176.600 -0.614 0.000 1.041 97 K CA -0.325 55.754 56.287 -0.346 0.000 0.905 97 K CB 0.706 33.072 32.500 -0.224 0.000 1.068 97 K HN 0.466 nan 8.250 nan 0.000 0.470 98 F N 2.416 122.054 119.950 -0.521 0.000 2.508 98 F HA 0.464 4.991 4.527 -0.000 0.000 0.325 98 F C 0.468 175.932 175.800 -0.560 0.000 1.090 98 F CA -0.882 56.734 58.000 -0.640 0.000 0.945 98 F CB 1.714 40.016 39.000 -1.164 0.000 1.156 98 F HN 0.321 nan 8.300 nan 0.000 0.463 99 R N 0.530 120.962 120.500 -0.114 0.000 2.428 99 R HA 0.754 5.094 4.340 -0.000 0.000 0.294 99 R C -0.232 176.124 176.300 0.093 0.000 1.000 99 R CA -0.642 55.447 56.100 -0.018 0.000 0.960 99 R CB 1.637 31.935 30.300 -0.003 0.000 1.076 99 R HN 0.891 nan 8.270 nan 0.000 0.475 100 G N 1.854 110.762 108.800 0.180 0.000 2.612 100 G HA2 0.673 4.633 3.960 -0.000 0.000 0.298 100 G HA3 0.673 4.633 3.960 -0.000 0.000 0.298 100 G C -1.606 173.375 174.900 0.136 0.000 1.336 100 G CA -0.444 44.795 45.100 0.233 0.000 0.953 100 G HN 0.529 nan 8.290 nan 0.000 0.482 101 I N 1.100 121.726 120.570 0.094 0.000 2.722 101 I HA 0.567 4.737 4.170 -0.000 0.000 0.292 101 I C -0.985 175.149 176.117 0.028 0.000 1.267 101 I CA -0.719 60.611 61.300 0.050 0.000 1.036 101 I CB 2.156 40.183 38.000 0.045 0.000 1.281 101 I HN 0.380 nan 8.210 nan 0.000 0.423 105 G N 4.333 113.142 108.800 0.014 0.000 2.543 105 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.286 105 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.286 105 G C 0.104 175.011 174.900 0.012 0.000 1.153 105 G CA 0.631 45.739 45.100 0.013 0.000 0.968 105 G HN 0.634 nan 8.290 nan 0.000 0.544 106 D N 2.173 122.580 120.400 0.011 0.000 2.340 106 D HA 0.161 4.801 4.640 -0.000 0.000 0.217 106 D C 0.406 176.712 176.300 0.011 0.000 1.081 106 D CA 0.263 54.269 54.000 0.011 0.000 0.842 106 D CB 0.313 41.118 40.800 0.009 0.000 0.934 106 D HN 0.433 nan 8.370 nan 0.000 0.511 107 E N 1.556 121.763 120.200 0.012 0.000 2.229 107 E HA 0.109 4.459 4.350 -0.000 0.000 0.283 107 E C 0.039 176.648 176.600 0.015 0.000 1.030 107 E CA -0.298 56.110 56.400 0.012 0.000 0.836 107 E CB 2.015 31.722 29.700 0.012 0.000 1.068 107 E HN -0.016 nan 8.360 nan 0.000 0.401 108 K N 4.415 124.825 120.400 0.016 0.000 2.338 108 K HA 0.074 4.394 4.320 -0.000 0.000 0.290 108 K C 0.778 177.393 176.600 0.026 0.000 1.069 108 K CA -0.284 56.014 56.287 0.019 0.000 0.941 108 K CB 0.318 32.829 32.500 0.018 0.000 1.023 108 K HN 0.367 nan 8.250 nan 0.000 0.477 109 I N 4.059 124.645 120.570 0.026 0.000 2.494 109 I HA 0.059 4.229 4.170 -0.000 0.000 0.250 109 I C 0.667 176.817 176.117 0.055 0.000 1.112 109 I CA 0.682 62.012 61.300 0.051 0.000 1.438 109 I CB -0.570 37.448 38.000 0.030 0.000 1.111 109 I HN 0.644 nan 8.210 nan 0.000 0.431 110 L N 0.992 122.206 121.223 -0.015 0.000 2.549 110 L HA 0.339 4.679 4.340 -0.000 0.000 0.259 110 L C -1.209 175.648 176.870 -0.021 0.000 0.934 110 L CA -0.449 54.358 54.840 -0.055 0.000 0.865 110 L CB 2.224 44.146 42.059 -0.229 0.000 1.352 110 L HN 0.218 nan 8.230 nan 0.000 0.410 111 E N 4.236 124.438 120.200 0.004 0.000 2.238 111 E HA 0.847 5.197 4.350 -0.000 0.000 0.267 111 E C -1.517 175.116 176.600 0.055 0.000 0.887 111 E CA -0.995 55.425 56.400 0.033 0.000 0.769 111 E CB 2.549 32.272 29.700 0.038 0.000 1.187 111 E HN 0.691 nan 8.360 nan 0.000 0.416 112 A N 2.422 125.309 122.820 0.112 0.000 2.454 112 A HA 0.615 4.935 4.320 -0.000 0.000 0.302 112 A C -1.179 176.557 177.584 0.252 0.000 1.079 112 A CA -0.746 51.407 52.037 0.193 0.000 0.731 112 A CB 2.021 21.164 19.000 0.239 0.000 1.299 112 A HN 0.750 nan 8.150 nan 0.000 0.413 113 E N 0.414 120.781 120.200 0.279 0.000 2.275 113 E HA 0.666 5.016 4.350 -0.000 0.000 0.270 113 E C -1.782 175.005 176.600 0.312 0.000 0.882 113 E CA -0.482 56.026 56.400 0.179 0.000 0.758 113 E CB 1.440 31.191 29.700 0.084 0.000 1.195 113 E HN 0.764 nan 8.360 nan 0.000 0.419 114 F N 0.773 120.808 119.950 0.143 0.000 2.719 114 F HA 0.650 5.177 4.527 -0.000 0.000 0.309 114 F C -2.023 173.879 175.800 0.170 0.000 1.138 114 F CA -1.000 57.084 58.000 0.141 0.000 0.943 114 F CB 0.838 39.939 39.000 0.168 0.000 1.304 114 F HN 0.076 nan 8.300 nan 0.000 0.445 115 V N 2.263 122.345 119.914 0.280 0.000 2.540 115 V HA 0.633 4.753 4.120 -0.000 0.000 0.302 115 V C -0.498 175.718 176.094 0.202 0.000 1.035 115 V CA -0.799 61.603 62.300 0.169 0.000 0.873 115 V CB 2.046 33.914 31.823 0.076 0.000 0.992 115 V HN 0.819 nan 8.190 nan 0.000 0.428 116 R N 2.355 122.986 120.500 0.218 0.000 2.514 116 R HA 0.803 5.143 4.340 -0.000 0.000 0.301 116 R C -0.489 175.851 176.300 0.066 0.000 0.962 116 R CA -0.571 55.625 56.100 0.159 0.000 0.882 116 R CB 2.198 32.651 30.300 0.255 0.000 1.143 116 R HN 0.809 nan 8.270 nan 0.000 0.452 117 A N 4.222 127.064 122.820 0.036 0.000 2.274 117 A HA 0.440 4.760 4.320 -0.000 0.000 0.309 117 A C 0.044 177.621 177.584 -0.011 0.000 1.226 117 A CA -0.635 51.404 52.037 0.003 0.000 0.853 117 A CB 0.371 19.382 19.000 0.019 0.000 1.146 117 A HN 0.684 nan 8.150 nan 0.000 0.518 118 I N 3.457 123.971 120.570 -0.093 0.000 2.352 118 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 118 I C -0.165 176.006 176.117 0.089 0.000 1.036 118 I CA -0.304 60.931 61.300 -0.108 0.000 1.336 118 I CB 1.067 38.731 38.000 -0.561 0.000 1.407 118 I HN 0.510 nan 8.210 nan 0.000 0.497 119 V N 4.932 124.954 119.914 0.179 0.000 2.925 119 V HA 0.631 4.751 4.120 -0.000 0.000 0.311 119 V C -2.778 173.290 176.094 -0.044 0.000 1.104 119 V CA -2.490 59.887 62.300 0.129 0.000 0.954 119 V CB 1.769 33.622 31.823 0.050 0.000 1.022 119 V HN 0.418 nan 8.190 nan 0.000 0.427 120 P HA 0.287 nan 4.420 nan 0.000 0.268 120 P C 0.505 177.679 177.300 -0.210 0.000 1.204 120 P CA -0.017 62.751 63.100 -0.554 0.000 0.768 120 P CB 0.790 32.169 31.700 -0.534 0.000 0.842 121 R N 2.481 122.892 120.500 -0.148 0.000 2.117 121 R HA -0.212 4.128 4.340 -0.000 0.000 0.243 121 R C 2.119 178.387 176.300 -0.053 0.000 1.143 121 R CA 2.261 58.326 56.100 -0.057 0.000 0.968 121 R CB -0.363 29.923 30.300 -0.023 0.000 0.863 121 R HN 0.652 nan 8.270 nan 0.000 0.444 122 E N 0.874 121.032 120.200 -0.069 0.000 2.110 122 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 122 E C 1.839 178.415 176.600 -0.040 0.000 0.988 122 E CA 1.240 57.612 56.400 -0.047 0.000 0.804 122 E CB -0.115 29.558 29.700 -0.046 0.000 0.745 122 E HN 0.036 nan 8.360 nan 0.000 0.458 123 K N 0.986 121.354 120.400 -0.054 0.000 2.032 123 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 123 K C 1.963 178.551 176.600 -0.021 0.000 1.048 123 K CA 1.162 57.428 56.287 -0.034 0.000 0.927 123 K CB -0.546 31.932 32.500 -0.036 0.000 0.712 123 K HN 0.236 nan 8.250 nan 0.000 0.441 124 L N 1.160 122.369 121.223 -0.024 0.000 2.131 124 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 124 L C 2.097 178.960 176.870 -0.012 0.000 1.092 124 L CA 1.610 56.442 54.840 -0.013 0.000 0.759 124 L CB -0.379 41.674 42.059 -0.010 0.000 0.903 124 L HN 0.193 nan 8.230 nan 0.000 0.435 125 R N -1.175 119.316 120.500 -0.015 0.000 2.062 125 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 125 R C 2.325 178.620 176.300 -0.010 0.000 1.136 125 R CA 1.301 57.394 56.100 -0.012 0.000 0.948 125 R CB -0.432 29.860 30.300 -0.013 0.000 0.845 125 R HN 0.296 nan 8.270 nan 0.000 0.430 126 R N 0.793 121.287 120.500 -0.011 0.000 2.105 126 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 126 R C 2.409 178.706 176.300 -0.005 0.000 1.135 126 R CA 1.216 57.312 56.100 -0.007 0.000 0.967 126 R CB -0.445 29.851 30.300 -0.008 0.000 0.861 126 R HN 0.219 nan 8.270 nan 0.000 0.442 127 L N -0.013 121.207 121.223 -0.004 0.000 1.955 127 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 127 L C 1.910 178.779 176.870 -0.002 0.000 1.072 127 L CA 1.417 56.256 54.840 -0.002 0.000 0.755 127 L CB -0.480 41.579 42.059 -0.000 0.000 0.888 127 L HN 0.210 nan 8.230 nan 0.000 0.432 128 A N -0.526 122.292 122.820 -0.004 0.000 2.416 128 A HA 0.438 4.758 4.320 -0.000 0.000 0.252 128 A C 0.615 178.196 177.584 -0.004 0.000 1.353 128 A CA 0.700 52.734 52.037 -0.004 0.000 0.996 128 A CB -0.969 18.027 19.000 -0.006 0.000 0.961 128 A HN 0.321 nan 8.150 nan 0.000 0.523 129 L N -1.940 119.281 121.223 -0.004 0.000 3.313 129 L HA 0.753 5.093 4.340 -0.000 0.000 0.320 129 L C 0.283 177.152 176.870 -0.002 0.000 1.304 129 L CA 0.538 55.376 54.840 -0.003 0.000 0.920 129 L CB -1.361 40.695 42.059 -0.004 0.000 1.357 129 L HN 0.608 nan 8.230 nan 0.000 0.602 130 E N 0.000 120.199 120.200 -0.001 0.000 2.725 130 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 130 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 130 E CB 0.000 29.700 29.700 0.001 0.000 0.812 130 E HN 0.000 nan 8.360 nan 0.000 0.440